1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid

C19H26N2O4 — CID 167739156

IUPAC1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(OCc1ccccc1)N1CCN(C2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C19H26N2O4/c22-17(23)19(9-5-2-6-10-19)21-13-11-20(12-14-21)18(24)25-15-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2,(H,22,23)
InChIKeySVPPBYIQELOKGP-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.73
Rot. Bonds4

About 1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid

1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 167739156) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID167739156
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(OCc1ccccc1)N1CCN(C2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C19H26N2O4/c22-17(23)19(9-5-2-6-10-19)21-13-11-20(12-14-21)18(24)25-15-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2,(H,22,23)
InChIKeySVPPBYIQELOKGP-UHFFFAOYSA-N
XLogP2.73
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl piperidine-1-carboxylate
CID 158057698
benzyl aziridine-1-carboxylate;silane
CID 158496499
4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate
CID 167628584
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-hydroxy-4-phenylazepane-1-carboxylate
CID 138755008
benzyl 4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 110798888
benzyl 4-cyclopropyl-4-hydroxyazocane-1-carboxylate
CID 122530664
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid (CID 167739156) is 1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid is O=C(OCc1ccccc1)N1CCN(C2(C(=O)O)CCCCC2)CC1.
What is the InChIKey of 1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is SVPPBYIQELOKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-17(23)19(9-5-2-6-10-19)21-13-11-20(12-14-21)18(24)25-15-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2,(H,22,23).
What are the key properties of 1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 167739156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).